(2-氨基吡啶-3-基)(2-噻吩基)甲酮 | 79574-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (2-氨基吡啶-3-基)(2-噻吩基)甲酮
• 英文名称: (2-aminopyridin-3-yl)(2-thienyl)methanone
• 英文别名: 2-amino-3-(2-thenoyl)pyridine；(2-aminopyridin-3-yl)-thiophen-2-ylmethanone
• CAS: 79574-79-1
• 化学式: C₁₀H₈N₂OS
• 分子量: 204.252
• InChiKey: HVLKHOXVICIZCB-UHFFFAOYSA-N

物化性质

• 熔点：
  57 °C
• 沸点：
  424.5±35.0 °C(Predicted)
• 密度：
  1.339±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-溴己酰氯 、 (2-氨基吡啶-3-基)(2-噻吩基)甲酮 在 吡啶 作用下， 以 1,1-二氯乙烷 为溶剂， 生成 2-(6-bromohexanoylamino)-3-(2-thenoyl)pyridine
  参考文献：
  名称：

  Pyridine compounds and pharmaceutical use thereof

  摘要：

  揭示了一种具有以下结构式的新型吡啶化合物##STR1##，其中每个符号如说明书中定义的那样，或其盐，具有抑制脯氨酸内肽酶活性的特性，并且适用于药用。

  公开号：

  US05001137A1
• 作为产物：
  描述：

  2-氟吡啶 在 chromium(VI) oxide 、 氨 、 lithium diisopropyl amide 作用下， 以 水 、 丙酮 为溶剂， 反应 8.0h， 生成 (2-氨基吡啶-3-基)(2-噻吩基)甲酮
  参考文献：
  名称：

  Metallation regioselective en serie pyridinique: Synthese originale d'amino-2 aroyl-3 pyridines

  摘要：

  DOI：

  10.1016/s0022-328x(00)80124-2

文献信息

• [EN] NOVEL FUSED HETEROCYCLES AND USES THEREOF<br/>[FR] HETEROCYCLES FUSIONNES ET UTILISATIONS
  申请人：ASTRAZENECA AB

  公开号：WO2005111001A1

  公开（公告）日：2005-11-24

  This invention relates to novel compounds having the Formula (I) and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment or prophylaxis of H. pylori infection.

  本发明涉及具有公式(I)的新化合物，以及它们的药物组合物和使用方法。这些新化合物提供了治疗或预防幽门螺旋杆菌感染的方法。
• Potent and selective inhibitors of Helicobacter pylori glutamate racemase (MurI): Pyridodiazepine amines
  作者：Bolin Geng、Gregory Basarab、Janelle Comita-Prevoir、Madhusudhan Gowravaram、Pamela Hill、Andrew Kiely、James Loch、Lawrence MacPherson、Marshall Morningstar、George Mullen、Ekundayo Osimboni、Alexander Satz、Charles Eyermann、Tomas Lundqvist

  DOI：10.1016/j.bmcl.2008.11.113

  日期：2009.2

  An SAR study of an HTS screening hit generated a series of pyridodiazepine amines as potent inhibitors of Helicobacter pylori glutamate racemase (MurI) showing highly selective anti-H. pylori activity, marked improved solubility, and reduced plasma protein binding. X-ray co-crystal E–I structures were obtained. These uncompetitive inhibitors bind at the MurI dimer interface.

  一项针对HTS筛选命中的SAR研究产生了一系列吡啶二氮杂胺，它们是幽门螺杆菌谷氨酸消旋酶（MurI）的有效抑制剂，显示出高度选择性的抗幽门螺杆菌活性，显着改善的溶解度和降低的血浆蛋白结合力。获得了X射线共晶E–I结构。这些非竞争性抑制剂在MurI二聚体界面结合。
• KINASE INHIBITORS
  申请人：MALTAIS FRANCOIS

  公开号：US20090124602A1

  公开（公告）日：2009-05-14

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供了含有所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、状况或障碍的方法。该发明还提供了制备本发明化合物的方法。
• Novel Fused Heterocycles and Uses Thereof
  申请人：Basarab Gregory

  公开号：US20070275954A1

  公开（公告）日：2007-11-29

  This invention relates to novel compounds having the Formula (I) and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment or prophylaxis of H. pylori infection.

  本发明涉及具有式（I）的新化合物，以及它们的药物组成物和使用方法。这些新化合物提供了治疗或预防H. pylori感染的方法。
• Pyridine compounds for treating amnesia
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0558094A1

  公开（公告）日：1993-09-01

  A novel compound of the formula wherein R¹ means hydrogen and R² means hydrogen or a straight-chain or branched chain alkyl having 1 to 8 carbon atoms; Ar means phenyl, a phenyl substituted by 1 to 3 substituent(s) selected from among halogens, straight-chain or branched chain alkyls having 1 to 8 carbon atoms, straight-chain or branched chain alkoxys having 1 to 8 carbon atoms, trifluoromethyl, amino, nitro and cyano, furyl, a furyl substituted by 1 to 3 substituent(s) selected from among halogens, straight-chain or branched chain alkyls having 1 to 8 carbon atoms, straight-chain or branched chain alkoxys having 1 to 8 carbon atoms, trifluoromethyl, straight-chain or branched chain alkylthiols having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfinyls having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfonyls having 1 to 8 carbon atoms, amino, nitro and cyano, thienyl, a thienyl substituted by 1 to 3 substituent(s) selected from among halogens, straight-chain or branched chain alkyls having 1 to 8 carbon atoms, straight-chain or branched chain alkoxys having 1 to 8 carbon atoms, trifluoromethyl, straight-chain or branched chain alkylthiols having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfinyls having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfonyls having 1 to 8 carbon atoms, amino, nitro and cyano, pyrrolyl, a pyrrolyl substituted by 1 to 3 substituent(s) selected from among halogens, straight-chain or branched chain alkyls having 1 to 8 carbon atoms, straight-chain or branched chain alkoxys having 1 to 8 carbon atoms, trifluoromethyl, straight-chain or branched chain alkylthiols having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfinyls having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfonyls having 1 to 8 carbon atoms, amino, nitro and cyano, pyridyl, or a pyridyl substituted by 1 to 3 substituent(s) selected from among halogens, straight-chain or branched chain alkyls having 1 to 8 carbon atoms, straight-chain or branched chain alkoxys having 1 to 8 carbon atoms, trifluoromethyl, straight-chain or branched chain alkylthiols having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfinyls having 1 to 8 carbon atoms, straight-chain or branched chain alkylsulfonyls having 1 to 8 carbon atoms, amino, nitro and cyano: Y means a single bond or a straight-chain or branched chain alkylene having 1 to 8 carbon atoms which may have double bond(s) in the chain; W means a group of the formula (i) (wherein R³ and R⁴ are the same or different and respectively mean hydrogen or a halogen, X means -O- or -S-, Z means a single bond or -O-, A is a straight-chain or branched chain alkylene having 1 to 8 carbon atoms, B means -N(R⁸)(R⁹) (wherein R⁸ and R⁹ are the same or different and respectively mean hydrogen or a straight-chain or branched chain alkyl having 1 to 8 carbon atoms, or combinedly means a group forming, taken together with the adjacent nitrogen, 1-pyrrolidinyl, 2-oxo-1-pyrrolidinyl, piperidino, 1-piperazinyl, a 1-piperazinyl substituted by a straight-chain or branched chain alkyl having 1 to 8 carbon atoms at the 4-position, 1-homopiperazinyl, morpholino and thiomorpholino) or a group of the formula (ii) (wherein R¹² and R¹³ are the same or different and respectively mean hydrogen or a straight-chain or branched chain alkyl having 1 to 8 carbon atoms, P is -S- and Q is hexamethylene, heptamethylene, octamethylene, 1-methylpentamethylene, 1-methylhexamethylene, 1-methylheptamethylene, -(CH₂)₂S(CH₂)₃-, -(CH₂)₂S(CH₂)₆-. or a pharmaceutically acceptable salt thereof or a hydrate thereof. The compounds exhibit inhibitory activity on prolylendopeptidase. Also disclosed are pharmaceutical compositions containing the novel pyridine compounds.

  一种新颖的式化合物 其中 R¹ 指氢，R² 指氢或具有 1 至 8 个碳原子的直链或支链烷基；Ar 指苯基、被 1 至 3 个取代基取代的苯基，这些取代基选自卤素、具有 1 至 8 个碳原子的直链或支链烷基、具有 1 至 8 个碳原子的直链或支链烷氧基、三氟甲基、氨基、硝基和氰基、呋喃基、被 1 至 3 个取代基取代的呋喃基，这些取代基选自卤素、具有 1 至 8 个碳原子的直链或支链烷基、具有 1 至 8 个碳原子的直链或支链烷氧基、三氟甲基、具有 1 至 8 个碳原子的直链或支链烷硫基、具有 1 至 8 个碳原子的直链或支链烷基亚磺酰基、具有 1 至 8 个碳原子的直链或支链烷基磺酰基、氨基、硝基和氰基、噻吩基、被 1 至 3 个从卤素中选出的取代基取代的噻吩基、具有 1 至 8 个碳原子的直链或支链烷基、具有 1 至 8 个碳原子的直链或支链烷氧基、三氟甲基、具有 1 至 8 个碳原子的直链或支链烷硫基、具有 1 至 8 个碳原子的直链或支链烷基亚磺酰基、具有 1 至 8 个碳原子的直链或支链烷基磺酰基、氨基、硝基和氰基、吡咯基、被 1 至 3 个选自卤素的取代基取代的吡咯基、具有 1 至 8 个碳原子的直链或支链烷基、具有 1 至 8 个碳原子的直链或支链烷氧基、三氟甲基、具有 1 至 8 个碳原子的直链或支链烷硫基、具有 1 至 8 个碳原子的直链或支链烷基亚磺酰基、具有 1 至 8 个碳原子的直链或支链烷基磺酰基、氨基、硝基和氰基、吡啶基或被 1 至 3 个取代基取代的吡啶基，取代基可从卤素、具有 1 至 8 个碳原子的直链或支链烷基、具有 1 至 8 个碳原子的直链或支链烷氧基中选出、三氟甲基、1 至 8 个碳原子的直链或支链烷硫基、1 至 8 个碳原子的直链或支链 烷基亚磺酰基、1 至 8 个碳原子的直链或支链烷基磺酰基、氨基、硝基和氰基：Y 指单键或具有 1 至 8 个碳原子的直链或支链亚烷基，链中可能有双键； W 指式(i)的基团 (其中 R³ 和 R⁴ 相同或不同，分别指氢或卤素，X 指 -O- 或 -S-，Z 指单键或 -O-，A 指具有 1 至 8 个碳原子的直链或支链亚烷基，B 指 -N(R⁸)(R⁹)（其中 R⁸ 和 R𠞙 相同或不同，分别指氢或具有 1 至 8 个碳原子的直链或支链烷基、或组合指与邻近的氮一起形成的基团、1-吡咯烷基、2-氧代-1-吡咯烷基、哌啶基、1-哌嗪基、在 4 位上被具有 1 至 8 个碳原子的直链或支链烷基取代的 1-哌嗪基、1-高哌嗪基、吗啉基和硫代吗啉基）或式 (ii) 的基团 (其中 R¹² 和 R¹³ 相同或不同，分别指氢或具有 1 至 8 个碳原子的直链或支链烷基、P 是-S-，Q 是六亚甲基、七亚甲基、八亚甲基、1-甲基五亚甲基、1-甲基六亚甲基、1-甲基七亚甲基、-(CH₂)₂S(CH₂)₃-、-(CH₂)₂S(CH₂)₆-。 或 其药学上可接受的盐或其水合物。 这些化合物对原内酯肽酶具有抑制活性。还公开了含有新型吡啶化合物的药物组合物。